ChemSpider 2D Image | GYMNEMIC ACID III | C41H66O13

GYMNEMIC ACID III

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID10259159

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,16β,21β,22α)-16,22,23,28-Tetrahydroxy-21-{[(2S)-2-methylbutanoyl]oxy}olean-12-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,16β,21β,22α)-16,22,23,28-Tetrahydroxy-21-{[(2S)-2-methylbutanoyl]oxy}olean-12-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
122074-65-1 [RN]
Acide β-D-glucopyranosiduronique de (3β,16β,21β,22α)-16,22,23,28-tétrahydroxy-21-{[(2S)-2-méthylbutanoyl]oxy}oléan-12-én-3-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (3β,16β,21β,22α)-3-(β-D-glucopyranuronosyloxy)-16,22,23,28-tetrahydroxyolean-12-en-21-yl ester, (2S)- [ACD/Index Name]
GYMNEMIC ACID III

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

I63P1QEJ6A [DBID]
UNII:I63P1QEJ6A [DBID]
UNII-I63P1QEJ6A [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 853.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.9±6.0 kJ/mol
Flash Point: 250.1±27.8 °C
Index of Refraction: 1.600
Molar Refractivity: 196.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 575.6±5.0 cm3

Click to predict properties on the Chemicalize site


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